Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Morpholine SCHEMBL10535616 | 0.78 | CYP3A4 (0.41) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10550020 | 0.77 | CYP3A4 (0.50) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7713764 | 0.73 | MAPT (0.77) | ALDH1A1LMNAMAPTATMHTT | |
| Hydrochloric Acid SCHEMBL29595529 | 0.72 | ALDH1A1 (0.62) | ALDH1A1LMNAMAPTATMHTT | |
| SCHEMBL10549444 | 0.70 | SMN1; SMN2 (0.40) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL600477 | 0.70 | CYP3A4 (0.61) | LMNAHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10469495 | 0.69 | CYP3A4 (0.54) | LMNAHTTRAB9AHIF1ACYP1A2 | |
| SCHEMBL7713727 | 0.68 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTATMHTT | |
| SCHEMBL1976009 | 0.67 | CYP3A4 (0.62) | ALDH1A1LMNAMAPTHTTCYP1A2 | |
| SCHEMBL30317655 | 0.67 | CYP3A4 (0.62) | ALDH1A1LMNAMAPTHTTCYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4954494-A | Cardiotonic and inotropic agents | RORER PHARMACEUTICAL CORPORATION (US) | 1990-09-04 | — | — | US | disclosed |
| WO-1989008108-A1 | PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-09-08 | — | — | WO | disclosed |
| US-4826835-A | INOTROPIC AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |